General Information of the Compound
| Compound ID |
CP0519584
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| Compound Name |
1-[[6-[[4-(2-hydroxy-2-methylpropyl)-2-methoxyphenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H35NO5
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| Molecular Weight |
465.59
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| Canonical SMILES |
COc1cc(CC(C)(C)O)ccc1COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1
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| InChI |
InChI=1S/C28H35NO5/c1-18-21(14-29-15-23(16-29)27(30)31)8-7-20-12-24(9-10-25(18)20)34-17-22-6-5-19(11-26(22)33-4)13-28(2,3)32/h5-6,9-12,23,32H,7-8,13-17H2,1-4H3,(H,30,31)
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| InChIKey |
LFSYIVGWHPEVBP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3